PAE viewer: a webserver for the interactive visualization of the predicted aligned error for multimer structure...

Area of Science:

• Structural biology
• Computational biology
• Bioinformatics

Background:

• AlphaFold revolutionized protein structure prediction, with AlphaFold-Multimer extending this to protein complexes.
• Interpreting the quality of predicted complex structures is challenging for non-specialists.
• A dedicated tool for evaluating predicted complex structures, unlike monomeric predictions, was lacking.

Purpose of the Study:

• To develop an online tool for visualizing and evaluating the quality of predicted protein complex structures.
• To integrate Predicted Aligned Error (PAE) metrics and experimental cross-linking data for enhanced interpretation.

Main Methods:

• Development of the PAE Viewer webserver.
• Integration of 3D structure display with interactive PAE visualization.
• Incorporation of experimental cross-linking data for reliability assessment.

Main Results:

• The PAE Viewer provides an intuitive online platform for assessing protein complex predictions.
• The tool combines 3D structure visualization with interactive PAE representation.
• Integration of cross-linking data enhances the interpretation of prediction reliability.

Conclusions:

• PAE Viewer offers a novel solution for the intuitive evaluation of protein complex structure predictions.
• The webserver aids researchers in understanding the quality and reliability of AlphaFold-Multimer outputs.
• This tool addresses a critical need in structural biology for interpreting complex structural models.